==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-JUL-11 2LGJ . COMPND 2 MOLECULE: PEPTIDYL-TRNA HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR R.YADAV,P.PATHAK,S.PULAVARTI,A.JAIN,A.KUMAR,V.SHUKLA,A.ARORA . 191 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 24 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 0 0 0 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 233 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 174.4 5.8 5.3 -3.2 2 2 A A - 0 0 64 1,-0.1 57,-0.1 56,-0.0 0, 0.0 0.998 360.0-166.8 63.3 77.2 5.8 1.7 -4.3 3 3 A E - 0 0 124 55,-0.1 2,-0.6 1,-0.0 -1,-0.1 -0.768 30.7-103.8 -91.7 140.9 9.1 1.0 -6.0 4 4 A P - 0 0 49 0, 0.0 56,-0.2 0, 0.0 2,-0.1 -0.512 36.4-142.6 -68.4 111.0 9.4 -2.2 -8.0 5 5 A L - 0 0 65 -2,-0.6 56,-3.0 54,-0.3 2,-0.7 -0.388 18.0-113.8 -71.2 153.0 11.5 -4.7 -6.0 6 6 A L E -a 61 0A 6 83,-0.3 85,-1.2 80,-0.2 2,-0.6 -0.810 28.4-170.7 -96.3 115.4 13.9 -7.0 -7.8 7 7 A V E -ab 62 91A 31 54,-3.2 56,-2.9 -2,-0.7 2,-0.6 -0.926 8.8-158.9-105.5 116.4 13.1 -10.7 -7.8 8 8 A V E -ab 63 92A 5 83,-2.8 85,-2.0 -2,-0.6 2,-0.6 -0.845 2.4-160.7-102.2 122.5 15.9 -12.8 -9.1 9 9 A G E - b 0 93A 5 54,-2.8 2,-0.6 -2,-0.6 17,-0.1 -0.901 16.2-135.2-103.6 122.1 15.1 -16.3 -10.4 10 10 A L + 0 0 1 83,-2.0 15,-2.7 -2,-0.6 2,-0.4 -0.617 34.0 166.7 -79.2 116.7 18.1 -18.7 -10.7 11 11 A G - 0 0 1 -2,-0.6 12,-0.3 54,-0.4 56,-0.1 -0.977 26.9-161.0-129.9 145.7 18.0 -20.6 -13.9 12 12 A N - 0 0 5 -2,-0.4 2,-0.6 10,-0.3 8,-0.2 -0.663 12.6-169.4-124.6 73.7 20.7 -22.7 -15.6 13 13 A P + 0 0 34 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 -0.534 30.4 139.0 -63.8 109.5 19.8 -23.0 -19.3 14 14 A G > - 0 0 13 -2,-0.6 4,-2.0 1,-0.1 5,-0.1 -0.930 67.4 -87.9-146.9 172.3 22.1 -25.6 -20.8 15 15 A P T 4 S- 0 0 99 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.904 127.3 -3.2 -49.5 -53.3 22.1 -28.6 -23.2 16 16 A T T >4 S+ 0 0 90 135,-0.1 3,-1.0 2,-0.1 0, 0.0 0.483 129.2 74.2-112.0 -10.4 21.1 -31.1 -20.4 17 17 A Y G >4 S+ 0 0 68 1,-0.3 3,-1.2 2,-0.2 5,-0.3 0.673 81.5 68.6 -81.4 -17.1 21.2 -28.4 -17.7 18 18 A A G 3< S+ 0 0 28 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.428 99.4 53.3 -79.5 1.4 17.9 -26.8 -18.8 19 19 A K G < S+ 0 0 157 -3,-1.0 -1,-0.3 -7,-0.1 -2,-0.2 0.100 96.3 92.0-118.6 18.2 16.2 -30.0 -17.7 20 20 A T S X S- 0 0 19 -3,-1.2 3,-0.6 -8,-0.2 131,-0.1 -0.227 93.0 -96.7-103.4-169.9 17.7 -30.0 -14.1 21 21 A R G > S+ 0 0 53 129,-0.4 3,-0.7 1,-0.2 74,-0.1 0.452 109.8 81.1 -86.8 -0.2 16.6 -28.6 -10.8 22 22 A H G 3 S+ 0 0 5 -5,-0.3 -10,-0.3 1,-0.2 -1,-0.2 0.274 74.2 74.6 -89.6 11.4 18.7 -25.5 -11.4 23 23 A N G <> + 0 0 3 -3,-0.6 4,-2.0 -12,-0.3 3,-0.3 0.144 56.0 122.6-109.9 20.1 16.1 -23.9 -13.6 24 24 A L H <>> + 0 0 12 -3,-0.7 4,-2.7 1,-0.2 5,-0.5 0.866 63.6 62.3 -50.0 -48.9 13.8 -22.9 -10.7 25 25 A G H >5S+ 0 0 2 -15,-2.7 4,-1.6 68,-0.3 -1,-0.2 0.884 116.0 23.5 -50.1 -58.7 13.7 -19.2 -11.5 26 26 A F H >5S+ 0 0 34 -3,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.747 120.0 59.4 -86.2 -22.6 12.1 -19.2 -14.9 27 27 A M H X5S+ 0 0 100 -4,-2.0 4,-0.6 2,-0.2 -2,-0.2 0.906 115.2 33.7 -71.3 -42.2 10.3 -22.5 -14.6 28 28 A V H >X5S+ 0 0 27 -4,-2.7 4,-1.4 -5,-0.3 3,-0.5 0.895 115.7 55.4 -80.0 -41.5 8.3 -21.5 -11.6 29 29 A A H 3XS+ 0 0 3 -4,-2.5 5,-1.4 1,-0.2 4,-1.0 0.882 107.7 58.3 -71.3 -36.7 3.3 -14.6 -14.0 34 34 A G H <5S+ 0 0 51 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.817 108.0 46.6 -61.5 -30.4 1.0 -16.2 -16.6 35 35 A R H <5S+ 0 0 222 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.856 107.4 52.6 -84.0 -37.4 -1.9 -16.2 -14.2 36 36 A I H <5S- 0 0 93 -4,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.694 125.9 -96.3 -72.7 -15.2 -1.6 -12.7 -12.8 37 37 A G T <5S+ 0 0 65 -4,-1.0 2,-0.4 1,-0.2 -3,-0.2 0.853 76.5 140.1 97.5 60.0 -1.7 -11.4 -16.4 38 38 A S < - 0 0 22 -5,-1.4 2,-0.3 15,-0.1 -1,-0.2 -0.995 33.8-161.9-142.6 128.8 2.0 -11.0 -17.1 39 39 A A - 0 0 62 -2,-0.4 13,-0.4 13,-0.2 2,-0.3 -0.837 26.1-116.5-108.1 150.7 4.1 -11.7 -20.2 40 40 A F - 0 0 58 -2,-0.3 2,-0.4 11,-0.1 11,-0.2 -0.650 21.8-150.5 -89.4 139.6 7.9 -12.0 -20.2 41 41 A K E -C 50 0A 105 9,-3.0 9,-2.3 -2,-0.3 2,-0.8 -0.919 6.6-142.8-110.6 135.8 10.1 -9.6 -22.1 42 42 A V E + 0 0 83 -2,-0.4 2,-0.5 7,-0.2 6,-0.2 -0.856 25.1 168.3-100.2 106.4 13.4 -10.5 -23.6 43 43 A H E > -C 47 0A 127 4,-2.0 4,-1.2 -2,-0.8 3,-0.3 -0.707 29.5-145.3-116.9 77.1 16.0 -7.7 -23.3 44 44 A K T 4 S+ 0 0 174 -2,-0.5 2,-0.1 4,-0.2 -2,-0.1 -0.235 73.7 45.7 -55.6 105.3 19.2 -9.5 -24.2 45 45 A K T 4 S- 0 0 160 -2,-0.3 3,-0.2 0, 0.0 -1,-0.2 -0.615 131.4 -12.8 168.3 -89.0 22.0 -8.0 -22.1 46 46 A S T 4 S+ 0 0 16 -3,-0.3 3,-0.2 -2,-0.1 33,-0.2 0.544 140.9 48.0-106.0 -15.0 21.3 -7.5 -18.4 47 47 A G E < +C 43 0A 3 -4,-1.2 -4,-2.0 1,-0.2 3,-0.3 -0.270 63.3 149.0-120.8 43.0 17.6 -8.1 -18.7 48 48 A A E S+ 0 0 13 1,-0.3 2,-0.4 -6,-0.2 -4,-0.2 0.865 81.2 15.7 -51.5 -45.4 17.5 -11.2 -20.8 49 49 A E E S+ D 0 64A 19 15,-0.7 15,-3.0 -7,-0.2 2,-0.4 -0.955 80.4 158.7-130.1 116.4 14.3 -12.3 -19.1 50 50 A V E -CD 41 63A 15 -9,-2.3 -9,-3.0 -2,-0.4 2,-0.4 -0.999 14.0-177.9-137.6 135.6 12.2 -9.8 -17.2 51 51 A V E - D 0 62A 1 11,-2.2 11,-3.1 -2,-0.4 2,-0.7 -1.000 14.5-152.3-128.6 133.4 8.6 -9.7 -16.2 52 52 A T E + D 0 61A 66 -13,-0.4 2,-0.3 -2,-0.4 9,-0.2 -0.897 31.8 156.6-105.0 107.6 6.8 -6.9 -14.3 53 53 A G E - D 0 60A 8 7,-1.6 7,-3.3 -2,-0.7 2,-0.6 -0.899 35.7-133.6-128.1 158.5 3.9 -8.2 -12.3 54 54 A R E + D 0 59A 175 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.901 24.4 174.8-120.7 105.0 2.0 -7.0 -9.3 55 55 A L E > S+ D 0 58A 30 3,-0.9 2,-1.1 -2,-0.6 3,-0.7 -0.829 73.9 5.2-104.2 146.7 1.3 -9.4 -6.5 56 56 A A T 3 S- 0 0 53 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.000 133.7 -61.1 71.0 -32.4 -0.3 -8.3 -3.2 57 57 A G T 3 S+ 0 0 54 -2,-1.1 2,-0.3 1,-0.5 -1,-0.3 -0.079 114.4 90.1 154.5 -40.9 -0.7 -4.9 -4.8 58 58 A T E < S- D 0 55A 43 -3,-0.7 -3,-0.9 1,-0.0 -1,-0.5 -0.649 72.0-124.9 -89.4 137.2 2.8 -3.6 -5.6 59 59 A S E - D 0 54A 48 -2,-0.3 -5,-0.3 -5,-0.3 2,-0.3 -0.672 32.0-174.7 -81.8 129.8 4.4 -4.3 -9.0 60 60 A V E - D 0 53A 3 -7,-3.3 -7,-1.6 -2,-0.4 2,-0.7 -0.812 25.2-117.7-121.2 163.9 7.8 -6.0 -8.8 61 61 A V E -aD 6 52A 6 -56,-3.0 -54,-3.2 -2,-0.3 2,-0.8 -0.900 20.9-162.2-107.5 112.4 10.4 -6.9 -11.4 62 62 A L E -aD 7 51A 20 -11,-3.1 -11,-2.2 -2,-0.7 2,-0.4 -0.845 13.6-172.7 -95.4 112.0 11.1 -10.6 -11.8 63 63 A A E -aD 8 50A 12 -56,-2.9 -54,-2.8 -2,-0.8 -13,-0.2 -0.877 8.4-167.1-109.7 135.7 14.4 -11.1 -13.6 64 64 A K E - D 0 49A 7 -15,-3.0 -15,-0.7 -2,-0.4 2,-0.4 -0.975 18.8-135.9-123.7 117.4 15.8 -14.4 -14.8 65 65 A P - 0 0 8 0, 0.0 -54,-0.4 0, 0.0 -39,-0.1 -0.597 11.7-165.6 -65.8 122.8 19.4 -14.8 -16.0 66 66 A R + 0 0 141 -2,-0.4 2,-0.2 -54,-0.1 3,-0.1 0.277 67.9 80.5 -95.7 9.2 19.3 -16.9 -19.1 67 67 A C S S- 0 0 34 1,-0.2 -56,-0.2 -56,-0.1 2,-0.0 -0.442 97.0 -74.2-100.8 179.8 23.0 -17.5 -18.7 68 68 A Y >> - 0 0 78 -2,-0.2 3,-1.8 -56,-0.2 4,-0.6 -0.324 46.0-104.3 -74.1 162.0 24.8 -19.9 -16.5 69 69 A M H >> S+ 0 0 32 1,-0.3 3,-0.6 2,-0.2 4,-0.6 0.765 119.8 67.8 -59.6 -24.8 25.1 -19.3 -12.7 70 70 A N H 34 S+ 0 0 85 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.856 107.3 38.0 -59.5 -35.2 28.7 -18.2 -13.4 71 71 A E H X> S+ 0 0 94 -3,-1.8 3,-1.1 1,-0.2 4,-0.5 0.448 91.0 95.1 -98.1 -2.5 27.4 -15.2 -15.2 72 72 A S H XX S+ 0 0 1 -3,-0.6 3,-1.7 -4,-0.6 4,-1.4 0.895 80.1 55.2 -60.1 -43.1 24.5 -14.6 -12.9 73 73 A G H 3X S+ 0 0 3 -4,-0.6 4,-0.9 1,-0.3 -1,-0.3 0.730 103.4 57.5 -63.0 -20.7 26.4 -12.0 -10.8 74 74 A R H <4 S+ 0 0 139 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.600 103.5 53.9 -86.3 -12.2 27.0 -10.0 -13.9 75 75 A Q H S+ 0 0 50 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.865 117.1 58.3 -61.0 -37.0 23.8 -3.4 -14.3 79 79 A L H X S+ 0 0 10 -4,-1.5 4,-1.3 1,-0.2 3,-0.4 0.906 101.7 54.0 -62.4 -43.7 20.1 -4.2 -14.2 80 80 A A H <>S+ 0 0 4 -4,-2.6 5,-2.4 1,-0.2 4,-0.4 0.866 106.1 53.8 -58.5 -37.3 19.7 -2.7 -10.7 81 81 A K H ><5S+ 0 0 174 -4,-1.1 3,-0.5 -5,-0.2 -1,-0.2 0.845 100.6 60.1 -68.8 -34.1 21.2 0.5 -11.9 82 82 A F H 3<5S+ 0 0 131 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.897 115.4 32.6 -62.2 -41.9 18.7 0.9 -14.7 83 83 A Y T 3<5S- 0 0 116 -4,-1.3 -1,-0.2 -3,-0.1 -2,-0.2 0.374 108.4-122.6 -98.2 3.9 15.7 0.9 -12.4 84 84 A S T < 5 + 0 0 106 -3,-0.5 -3,-0.2 -4,-0.4 -4,-0.1 0.860 60.9 149.3 58.3 39.5 17.6 2.7 -9.6 85 85 A V < - 0 0 19 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.875 51.5-116.8-108.7 134.6 16.9 -0.2 -7.2 86 86 A P - 0 0 86 0, 0.0 3,-0.4 0, 0.0 -80,-0.2 -0.554 13.7-149.9 -69.9 122.5 19.2 -1.2 -4.4 87 87 A P S S+ 0 0 39 0, 0.0 3,-0.3 0, 0.0 38,-0.1 0.197 81.9 85.1 -78.5 18.3 20.5 -4.8 -4.9 88 88 A Q S S+ 0 0 124 1,-0.2 2,-1.8 42,-0.1 43,-0.4 0.959 87.0 43.1 -81.6 -61.9 20.6 -5.2 -1.1 89 89 A Q S S+ 0 0 132 -3,-0.4 2,-0.3 41,-0.1 -83,-0.3 -0.516 87.6 138.0 -87.7 68.9 17.1 -6.2 -0.2 90 90 A I - 0 0 1 -2,-1.8 41,-1.0 -3,-0.3 2,-0.5 -0.869 45.5-140.9-115.2 150.6 16.7 -8.7 -3.1 91 91 A V E -b 7 0A 27 -85,-1.2 -83,-2.8 -2,-0.3 2,-0.5 -0.945 17.0-172.9-112.6 128.0 15.1 -12.1 -3.1 92 92 A V E -b 8 0A 4 -2,-0.5 41,-2.7 39,-0.3 2,-0.5 -0.977 16.5-143.7-124.5 121.5 16.6 -14.9 -5.2 93 93 A I E +be 9 133A 30 -85,-2.0 -83,-2.0 -2,-0.5 2,-0.3 -0.728 37.9 152.6 -84.3 123.1 15.0 -18.3 -5.7 94 94 A H E - e 0 134A 1 39,-2.8 41,-2.9 -2,-0.5 2,-0.3 -0.996 43.3-111.4-153.8 150.1 17.7 -21.1 -5.7 95 95 A D E + e 0 135A 5 -2,-0.3 19,-0.4 39,-0.2 2,-0.3 -0.610 38.7 174.5 -84.7 141.3 18.1 -24.8 -5.0 96 96 A E E > - e 0 136A 2 39,-2.8 41,-2.2 -2,-0.3 42,-0.6 -0.990 42.4-130.7-148.7 155.8 20.2 -25.8 -2.0 97 97 A L T 3 S+ 0 0 40 -2,-0.3 39,-0.1 1,-0.2 -2,-0.0 0.368 78.8 108.5 -83.3 2.1 21.3 -28.9 -0.1 98 98 A D T 3 S+ 0 0 43 37,-0.1 2,-0.3 7,-0.1 -1,-0.2 0.871 90.3 0.6 -49.4 -44.8 20.4 -27.2 3.2 99 99 A I S < S- 0 0 24 -3,-0.5 39,-2.4 39,-0.1 38,-0.3 -0.842 88.6 -81.2-139.1 173.8 17.3 -29.4 3.6 100 100 A D > - 0 0 71 -2,-0.3 3,-1.0 37,-0.2 2,-0.3 -0.300 59.5 -81.4 -75.8 163.2 15.5 -32.3 2.0 101 101 A F T 3 S+ 0 0 28 36,-0.3 36,-0.2 1,-0.2 -1,-0.1 -0.470 107.9 53.5 -70.8 126.6 13.0 -31.8 -0.9 102 102 A G T 3 S+ 0 0 4 34,-0.6 2,-0.3 1,-0.4 -1,-0.2 -0.201 99.8 50.5 145.7 -45.4 9.6 -30.7 0.2 103 103 A R < - 0 0 114 -3,-1.0 33,-1.1 33,-0.0 -1,-0.4 -0.817 68.2-145.2-120.0 160.5 10.1 -27.6 2.4 104 104 A I E -F 135 0A 13 84,-0.4 2,-0.4 -2,-0.3 31,-0.2 -0.874 2.0-150.7-127.7 157.3 12.1 -24.5 1.7 105 105 A R E -F 134 0A 121 29,-2.8 29,-3.3 -2,-0.3 2,-0.7 -0.988 3.7-156.3-130.7 125.1 14.2 -22.0 3.7 106 106 A L E +F 133 0A 19 -2,-0.4 2,-0.3 27,-0.3 27,-0.3 -0.881 36.3 150.3-101.2 111.5 14.6 -18.3 3.0 107 107 A K E -F 132 0A 66 25,-1.9 25,-1.2 -2,-0.7 2,-0.7 -0.945 47.4-116.8-143.6 153.6 17.9 -17.2 4.6 108 108 A L E S+F 131 0A 110 -2,-0.3 2,-0.3 23,-0.3 23,-0.2 -0.858 71.6 71.3-100.2 114.1 20.7 -14.7 4.1 109 109 A G - 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